APS March Meeting 2021

March 15th - 19th, 2021 - Online

Abstracts presented by the Wentzcovitch Group:

  1. M19.00002 - Prediction of a temperature-induced phase transition in Mg2GeO4 by first principles
  2. M19.00004 - Prediction of crystal structures and motifs in the Fe-Mg-O system under Earth’s core pressures
  3. M19.00006 - Phase relations in iron monoxides from LDA + Usc calculations
  4. M19.00008 - Spin state and structural stability of ferropericlase up to 3 Mbar
  5. M19.00009 - Iron oxide motifs and structures from 0.1 to 3 TPa
  6. M19.00010 - Anharmonic thermodynamic properties of cubic CaSiO3 perovskite from phonon quasiparticles
  7. M19.00011 - Prediction of Fe-Mg and Fe-Mg-O compounds at exoplanetary interior pressures
  8. P19.00001 - Cij: A Python code for thermoelasticity
  9. P19.00003 - pgm: A Python package for free energy calculation
  10. P19.00008 - Express: nonstop calculations with Quantum ESPRESSO
  11. V20.00009 - Thermal Conductivity of CaSiO3 Perovskite at Lower Mantle Conditions (Invited)

Workshop for the US-Africa Initiative in Electronic Structure

A virtual mini-workshop at the 2021 APS March Meeting, Sunday March 14, 2021, 8am - 12pm Central Daylight Time.

USAfrI Speakers

  • Omololu Akin-Ojo, East African Institute for Fundamental Research
  • Sinead Griffin, Lawrence Berkeley National Laboratory
  • Richard Martin, University of Illinois and Stanford University
  • Renata Wentzcovitch, Columbia University

Posters presented by the Wentzcovitch Group:

  1. Research and APS March Meeting presentations − Wentzcovitch et al.
  2. cij: A Python code for quasiharmonic thermoelasticity
  3. pgm: A Python package for free energy calculation
  4. Software Advances for Mineral Physics Applications (SAMPA)

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